3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium

C22H23N2+ — CID 157469544

IUPAC3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium
SMILESCc1cc(C)c(C)c(-c2nc3c(c[n+]2C)-c2c(C)cccc2C3)c1
InChIInChI=1S/C22H23N2/c1-13-9-15(3)16(4)18(10-13)22-23-20-11-17-8-6-7-14(2)21(17)19(20)12-24(22)5/h6-10,12H,11H2,1-5H3/q+1
InChIKeyDKQPQYIBGCIZOG-UHFFFAOYSA-N
MW315.44 g/mol
LogP4.38
Rot. Bonds1

About 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium

3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium (PubChem CID 157469544) has the molecular formula C22H23N2+ and a molecular weight of 315.44 g/mol. Its IUPAC name is 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium.

Molecular Properties

Compound Name3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium
PubChem CID157469544
Molecular FormulaC22H23N2+
Molecular Weight315.44 g/mol
Exact Mass315.19
IUPAC Name3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium
SMILESCc1cc(C)c(C)c(-c2nc3c(c[n+]2C)-c2c(C)cccc2C3)c1
InChIInChI=1S/C22H23N2/c1-13-9-15(3)16(4)18(10-13)22-23-20-11-17-8-6-7-14(2)21(17)19(20)12-24(22)5/h6-10,12H,11H2,1-5H3/q+1
InChIKeyDKQPQYIBGCIZOG-UHFFFAOYSA-N
XLogP4.38
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,15-dimethyl-8-(2,3,5-trimethylphenyl)-2-aza-7-azoniapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 159085700
7,19-dimethyl-8-(2,3,5-trimethylphenyl)-2-aza-7-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15,17,19-nonaene
CID 158883269
6,8,15-trimethyl-5-(2,3,5-trimethylphenyl)-7-aza-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 160811505
4,11-dimethyl-5-(2-methylphenyl)-6,10-diaza-4-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 159935272
11-methyl-12-(2,3,5-trimethylphenyl)-3-aza-11-azoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 158489946
6,8,15-trimethyl-5-(2,3,5-trimethylphenyl)-7-aza-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene;6,8,16-trimethyl-5-(2,3,5-trimethylphenyl)-7-aza-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;6,8,17-trimethyl-5-(2,3,5-trimethylphenyl)-7-aza-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14(19),15,17-nonaene;6,8,18-trimethyl-5-(2,3,5-trimethylphenyl)-7-aza-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
CID 160811503
7,18-dimethyl-8-(2,3,5-trimethylphenyl)-5-aza-7-azoniapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4(9),5,7,11,14,16,18-nonaene
CID 159757647
4,5-dimethyl-9H-fluorene
CID 14389533
1,6-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-1-ium
CID 159022015
1,3,4,5-tetramethyl-9H-fluorene
CID 158222365
4,4,5,5,6,6-hexadeuterio-1-methyl-2-(2,3,5-trimethylphenyl)benzo[de]quinolin-1-ium
CID 155642396
6,15-dimethyl-12-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene;6,16-dimethyl-12-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaene;6,17-dimethyl-12-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14(19),15,17-nonaene;6,18-dimethyl-12-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)-6-azoniapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene
CID 161024591

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium?
The IUPAC name of 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium (CID 157469544) is 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium.
What is the SMILES notation for 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium?
The canonical SMILES for 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium is Cc1cc(C)c(C)c(-c2nc3c(c[n+]2C)-c2c(C)cccc2C3)c1.
What is the InChIKey of 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium?
The InChIKey is DKQPQYIBGCIZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2/c1-13-9-15(3)16(4)18(10-13)22-23-20-11-17-8-6-7-14(2)21(17)19(20)12-24(22)5/h6-10,12H,11H2,1-5H3/q+1.
What are the key properties of 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium?
3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium has a molecular weight of 315.44 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(2,3,5-trimethylphenyl)-9H-indeno[2,1-d]pyrimidin-3-ium is sourced from PubChem (CID 157469544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).